| 134929-42-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 134929-42-3
• 化学式: C₃₄H₃₃Cl₃P₃Re
• 分子量: 827.123
• InChiKey: XYLCQWAMDOHXTJ-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  9.13
• 重原子数：
  41.0
• 可旋转键数：
  5.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  、 lithium aluminium tetrahydride 在 水 作用下， 以 乙醚 为溶剂， 以45%的产率得到
  参考文献：
  名称：

  Synthesis and spectroscopic characterization of [ReH5(triphos)] and [ReH6(triphos)]+[triphos = PPh(CH2CH2PPh2)2]

  摘要：

  Reaction of mer-[ReCl3(PMePh2)3] with PPh(CH2CH2PPh2)2 (triphos) in refluxing toluene leads to the formation of [ReCl3(triphos)] 1. Treatment of 1 with LiAIH4 in refluxing Et2O gives [ReH5(triphos)] 2. Protonation of 2 with HBF4.OEt2 gives [ReH6(triphos)]+ 3. Deprotonation of 3 with NEt3 regenerates 2 quantitatively. The spectroscopic data for compound 3 suggest that it is near the classical/non-classical borderline but exists in solution as a single tautomer only. An estimate of 1.17 angstrom for the H-H distance of the eta-2-H2 ligand in 3 was obtained from the T1 data and previous structural work.

  DOI：

  10.1039/dt9910000587
• 作为产物：
  描述：

  双(2-二苯基膦乙基)苯基磷 、 ReCl₃(PMePh₂)₃ 以 甲苯 为溶剂， 以96%的产率得到
  参考文献：
  名称：

  Synthesis and spectroscopic characterization of [ReH5(triphos)] and [ReH6(triphos)]+[triphos = PPh(CH2CH2PPh2)2]

  摘要：

  Reaction of mer-[ReCl3(PMePh2)3] with PPh(CH2CH2PPh2)2 (triphos) in refluxing toluene leads to the formation of [ReCl3(triphos)] 1. Treatment of 1 with LiAIH4 in refluxing Et2O gives [ReH5(triphos)] 2. Protonation of 2 with HBF4.OEt2 gives [ReH6(triphos)]+ 3. Deprotonation of 3 with NEt3 regenerates 2 quantitatively. The spectroscopic data for compound 3 suggest that it is near the classical/non-classical borderline but exists in solution as a single tautomer only. An estimate of 1.17 angstrom for the H-H distance of the eta-2-H2 ligand in 3 was obtained from the T1 data and previous structural work.

  DOI：

  10.1039/dt9910000587